6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C20H14ClFN4O2 — CID 87053807

IUPAC6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2noc(-c3ncn4c3COC(c3ccccc3Cl)C4)n2)cc1
InChIInChI=1S/C20H14ClFN4O2/c21-15-4-2-1-3-14(15)17-9-26-11-23-18(16(26)10-27-17)20-24-19(25-28-20)12-5-7-13(22)8-6-12/h1-8,11,17H,9-10H2
InChIKeyQNEVQFWLELGOER-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.66
Rot. Bonds3

About 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 87053807) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID87053807
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2noc(-c3ncn4c3COC(c3ccccc3Cl)C4)n2)cc1
InChIInChI=1S/C20H14ClFN4O2/c21-15-4-2-1-3-14(15)17-9-26-11-23-18(16(26)10-27-17)20-24-19(25-28-20)12-5-7-13(22)8-6-12/h1-8,11,17H,9-10H2
InChIKeyQNEVQFWLELGOER-UHFFFAOYSA-N
XLogP4.66
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazine
CID 87053792
US10710994, Example 32
CID 139486465
US10710994, Example 35
CID 139486521
US10710994, Example 39
CID 139486537
6-(4-chlorophenyl)-3-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889315
2-{5-[6-(4-Fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-1,2,4-oxadiazol-3-YL}pyridine
CID 91889327
6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
CID 91889354
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889357
5-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazin-1-YL]-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
CID 87053795
6-(2-chlorophenyl)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazine
CID 87053806
N-(3-chlorobenzyl)-1-{[6-(4-fluorophenyl)-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazin-1-yl]carbonyl}piperidine-4-carboxamide
CID 91810164
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
CID 91889353

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 87053807) is 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Fc1ccc(-c2noc(-c3ncn4c3COC(c3ccccc3Cl)C4)n2)cc1.
What is the InChIKey of 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is QNEVQFWLELGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-15-4-2-1-3-14(15)17-9-26-11-23-18(16(26)10-27-17)20-24-19(25-28-20)12-5-7-13(22)8-6-12/h1-8,11,17H,9-10H2.
What are the key properties of 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 396.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 87053807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).